Compound Identification
SMILES
COC(=O)C1=C(C)NC(C)=C(C1C1=C(N=C2SC=CN12)C1=CC(OC(F)(F)F)=CC=C1)C(=O)OC
InChIKey
InChIKey=CNRYCFMEVIGJCK-UHFFFAOYSA-N
Formula
C23H20F3N3O5S
Mass
507.48
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
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Subclass
Imidazoles
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Level 5
Substituted imidazoles
- Level 6 Phenylimidazoles
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Level 5
Substituted imidazoles
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Subclass
Imidazoles
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Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Imidazoles
Intermediate Tree Nodes
Substituted imidazoles
Direct Parent
Phenylimidazoles
Alternative Parents
Dihydropyridinecarboxylic acids and derivatives Phenoxy compounds Phenol ethers N-substituted imidazoles Dicarboxylic acids and derivatives Vinylogous amides Thiazoles Methyl esters Heteroaromatic compounds Enoate esters Trihalomethanes Azacyclic compounds Dialkylamines Enamines Hydrocarbon derivatives Organic oxides Carbonyl compounds Organofluorides Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylimidazole - 4-phenylimidazole - Dihydropyridinecarboxylic acid derivative - Phenoxy compound - Phenol ether - Dihydropyridine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Hydropyridine - N-substituted imidazole - Benzenoid - Heteroaromatic compound - Vinylogous amide - Thiazole - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Trihalomethane - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Carbonyl group - Halomethane - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Alkyl fluoride - Alkyl halide - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
External Descriptors
Not available